%chk=000190727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190727

0 1
S 3.079623 -1.368459 -0.328567
O 1.650692 2.190741 -0.410629
O -2.973560 1.537980 -0.228853
N -2.817526 -0.768487 0.109964
N 3.177637 0.369088 -0.427338
N -4.917033 0.355974 0.061850
C 0.829387 -0.075860 -0.231613
C 1.330288 -1.397671 -0.198427
C -1.400691 -0.918081 -0.021602
C -0.535689 0.182640 -0.145500
C 0.472620 -2.486854 -0.079519
C 1.959162 0.871499 -0.364683
C -0.896887 -2.244899 0.007854
C -3.509123 0.464188 -0.023006
C 2.776059 3.112258 -0.548273
H -0.909479 1.215356 -0.179651
H 0.856795 -3.506081 -0.055714
H -1.580084 -3.087533 0.100032
H -3.354574 -1.636022 0.147058
H 3.445217 3.011672 0.312202
H 2.263269 4.080349 -0.563464
H 3.307931 2.911486 -1.483815
H -5.422618 1.234641 0.107650
H -5.361718 -0.401026 0.553045


%chk=000190727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190727

0 1
S 3.156435 -1.408903 -0.318562
O 1.673862 2.223161 -0.433784
O -3.060495 1.625518 -0.056990
N -2.838902 -0.725285 0.068732
N 3.210107 0.414231 -0.432269
N -4.952228 0.290139 0.165383
C 0.849143 -0.072166 -0.234867
C 1.342441 -1.405544 -0.189722
C -1.428312 -0.877333 -0.023688
C -0.533301 0.209979 -0.153178
C 0.451989 -2.491174 -0.061221
C 1.954017 0.875375 -0.371098
C -0.924572 -2.216510 0.020588
C -3.572591 0.473516 0.051162
C 2.840142 3.122588 -0.575814
H -0.902342 1.236331 -0.188301
H 0.809337 -3.524641 -0.024892
H -1.628247 -3.053280 0.121142
H -3.363198 -1.597369 0.157572
H 3.520316 3.005293 0.285457
H 2.407833 4.132431 -0.609423
H 3.390839 2.890248 -1.503703
H -5.520734 1.133234 0.156605
H -5.411840 -0.612937 0.259873


